%chk=000161276.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161276

0 1
 O    2.563100      0.8913000      8.8399999E-02
 O   0.4913000      9.8899998E-02 -0.6352000    
 O  -0.3375000      0.3514000       1.561000    
 O    1.676600      -2.403800      -1.217700    
 O    4.544000      -2.143900      -1.843000    
 O    5.894600     -0.6251000      0.2124000    
 O    3.755000       2.642900       1.839900    
 O   -3.334600      -2.662700      0.1168000    
 O   -4.022600      -1.761100       2.135100    
 O   -4.411000       2.497200      -2.148300    
 C    2.435200      -1.196900      -1.144600    
 C    3.873600      -1.525100     -0.7440000    
 C    1.770100     -0.2744000     -0.1231000    
 C    4.646300     -0.2601000     -0.3703000    
 C    3.851500      0.5875000      0.6259000    
 C   -1.548300       1.366400     -0.3572000    
 C  -0.1985000      0.9637000      0.2697000    
 C   -2.487000      0.1296000     -0.4508000    
 C    4.549100       1.910900      0.9241000    
 C   -2.375800     -0.6950000      0.8043000    
 C   -3.923000      0.5265000     -0.8177000    
 C   -2.137100       2.529500      0.3944000    
 C   -1.381300     -0.5276000       1.685700    
 C   -3.342500      -1.749200       1.120800    
 C   -3.976500       1.353100      -2.070000    
 C   -2.340000       3.739100     -0.1382000    
 C   -4.234900      -3.763100      0.2815000    
 H    2.408000     -0.7455000      -2.143500    
 H    3.895600      -2.252800      7.5700000E-02
 H    1.635200     -0.8130000      0.8239000    
 H    4.865000      0.3190000      -1.275800    
 H    3.715200      5.4499999E-02   1.576800    
 H   -1.340200       1.686900      -1.388800    
 H   0.4001000       1.872800      0.4086000    
 H   -2.106100     -0.4994000      -1.269600    
 H    5.538300       1.753400       1.364500    
 H    4.649000       2.512700      1.4600000E-02
 H   -4.413700       1.077100     -6.8000001E-03
 H   -4.532800     -0.3648000      -1.006600    
 H   -2.417800       2.375500       1.433500    
 H   -1.287300      -1.077500       2.613100    
 H    1.686500      -2.820200     -0.3389000    
 H    4.525600      -1.527200      -2.594600    
 H    5.711500      -1.127900       1.024300    
 H   -3.591000      0.8509000      -2.974800    
 H    4.215000       3.482100       2.011900    
 H   -2.771800       4.535600      0.4579000    
 H   -2.078300       3.959400      -1.167100    
 H   -4.130000      -4.420800     -0.5855000    
 H   -5.267300      -3.403300      0.3269000    
 H   -3.981900      -4.327700       1.184000    


%chk=000161276-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161276

0 1
O 2.610938 1.008384 0.018816
O 0.491935 0.056198 -0.237739
O -0.554868 0.281041 1.919792
O 1.716645 -2.586451 -0.390834
O 4.525361 -2.482151 -1.328942
O 6.070673 -0.349352 0.001747
O 4.173301 2.929699 1.685309
O -4.059365 -2.277529 -0.179847
O -3.701509 -2.482876 2.111386
O -4.183317 2.005682 -2.963746
C 2.409036 -1.338031 -0.693315
C 3.919903 -1.485527 -0.412753
C 1.830969 -0.230301 0.201657
C 4.693612 -0.155398 -0.451326
C 4.003745 0.853163 0.494843
C -1.524283 1.371530 -0.104960
C -0.239251 0.964589 0.630779
C -2.371112 0.081504 -0.418571
C 4.661202 2.224252 0.492587
C -2.503827 -0.761158 0.850382
C -3.715096 0.481240 -1.083949
C -2.271024 2.408321 0.718729
C -1.626104 -0.599629 1.892047
C -3.456467 -1.882368 1.032277
C -3.497293 1.086573 -2.455744
C -2.589278 3.648433 0.276301
C -4.972493 -3.440187 -0.075541
H 2.251341 -1.034094 -1.753566
H 4.058393 -1.950797 0.580913
H 1.847812 -0.533486 1.271157
H 4.674950 0.252165 -1.489145
H 4.016585 0.453210 1.531518
H -1.218220 1.827401 -1.064729
H 0.394038 1.811621 0.939652
H -1.789789 -0.511547 -1.156569
H 5.760029 2.082279 0.526900
H 4.382236 2.760528 -0.438972
H -4.308689 1.170268 -0.459824
H -4.311061 -0.442646 -1.229273
H -2.559790 2.106171 1.735818
H -1.696437 -1.187386 2.811247
H 2.248269 -3.329394 -0.780542
H 4.428387 -2.158348 -2.263781
H 6.407153 -1.193074 -0.400166
H -2.661344 0.613030 -3.041915
H 4.586858 3.827496 1.728581
H -3.129150 4.360110 0.910730
H -2.332142 3.987441 -0.735063
H -5.349641 -3.593046 -1.096813
H -5.794890 -3.222395 0.626293
H -4.420329 -4.325359 0.281764


